J076-0248 Screening compound: N-[2-(dimethylamino)ethyl]-4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

J076-0248 Screening compound: N-[2-(dimethylamino)ethyl]-4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
J076-0248 Screening compound: N-[2-(dimethylamino)ethyl]-4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J076-0248
N-[2-(dimethylamino)ethyl]-4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

J076-0248

Molecular Formula

C23H30N4O2 (C23 H30 N4 O2)

Compound Name

N-[2-(dimethylamino)ethyl]-4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

IUPAC name

N-[2-(dimethylamino)ethyl]-4-{3-[(3-methylphenyl)methyl]-2-oxo-13-diazinan-1-yl}benzamide

SMILES

Cc1cccc(CN(CCCN2c(cc3)ccc3C(NCCN(C)C)=O)C2=O)c1

InChI

InChI=1S/C23H30N4O2/c1-18-6-4-7-19(16-18)17-26-13-5-14-27(23(26)29)21-10-8-20(9-11-21)22(28)24-12-15-25(2)3/h4,6-11,16H,5,12-15,17H2,1-3H3,(H,24,28)

InChI Key

NBTKUDNUOPIUEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.896

Distribution Coefficient, logD

2.057

Water Solubility, LogSw

-3.28

Polar Surface Area

48.189

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

J076-0248 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with J076-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J076-0248?
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What is the minimum amount of J076-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J076-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J076-0248
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of J076-0248 available by request